Hecogenin | CAS No. 467-55-0

Hecogenin

Basic Information

CAS Number

467-55-0

Molecular Formula

C27H42O4

Molecular Weight

430.63 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

268 ºC

Boiling Point

464.85°C (rough estimate)

Flash Point

177.8 °C

Refractive Index

1.4840 (estimate)

Specific Rotation

7.2 º (c=0.8 g/100ml, CHCl3)

CC1CCC2(C(C3C(O2)CC4C3(C(=O)CC5C4CCC6C5(CCC(C6)O)C)C)C)OC1

InChI

InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,24+,25-,26+,27+/m1/s1

InChIKey

QOLRLLFJMZLYQJ-LSXKBBHKSA-N

LogP

4.972800000000005

Topological Polar Surface Area

55.760000000000005 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

766

Synonyms & References

English

  • CAS-467-55-0
  • 5alpha-Spirostan-12-one, 3beta-hydroxy-, (25R)-
  • (22R,25R)-3beta-Hydroxy-5alpha-spirostan-12-one
  • 467-55-0
  • Hecogenin (>80%)
  • (25R)-3beta-hydroxy-5alpha-spirostan-12-one
  • (25R)-12-oxo-spirostan-3beta-ol
  • s5336
  • NS00031633
  • BPBio1_000726
  • Tox21_110443_1
  • NCGC00016448-01
  • (3beta,5alpha,25R)-spirostan-3-ol-12-one
  • Tox21_110443
  • (+)-HECOGENIN
  • DTXSID7045310
  • CHEBI:5633
  • DTXCID5025310
  • Spirostan-12-one, 3-hydroxy-, (3beta,5alpha,25R)-
  • Spirostan-12-one,3-hydroxy-, (3b,5a,25R)-
  • (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
  • QOLRLLFJMZLYQJ-LOBDNJQFSA-N
  • NSC 115921
  • HECOGENIN [MI]
  • MS-27662
  • hecogenin
  • Spirostan-12-one, 3-hydroxy-, (3.beta.,5.alpha.,25R)-
  • C08902
  • gekogenin
  • Q5893392
  • MFCD00067285

MDL Number

MFCD00067285

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